ethyl 1-[4,4-bis(4-fluorophenyl)butyl]-4-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: ethyl 1-[4,4-bis(4-fluorophenyl)butyl]-4-(phenylmethyl)piperazine-2-carboxylate Openeye Name: ethyl 4-benzyl-1-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxylate CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(phenylmethyl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxylate Traditional Name: 4-benzyl-1-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxylic acid ethyl ester Formula: C30H34F2N2O2 MolecularWeight: 492.599966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C30H34F2N2O2/c1-2-36-30(35)29-22-33(21-23-7-4-3-5-8-23)19-20-34(29)18-6-9-28(24-10-14-26(31)15-11-24)25-12-16-27(32)17-13-25/h3-5,7-8,10-17,28-29H,2,6,9,18-22H2,1H3